2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole

C15H11ClN2O3 — CID 91673426

IUPAC2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole
SMILESCCc1cc([N+](=O)[O-])cc2nc(-c3ccccc3Cl)oc12
InChIInChI=1S/C15H11ClN2O3/c1-2-9-7-10(18(19)20)8-13-14(9)21-15(17-13)11-5-3-4-6-12(11)16/h3-8H,2H2,1H3
InChIKeySDJVJMZBGJVLRC-UHFFFAOYSA-N
MW302.72 g/mol
LogP4.62
Rot. Bonds3

About 2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole

2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole (PubChem CID 91673426) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole
PubChem CID91673426
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole
SMILESCCc1cc([N+](=O)[O-])cc2nc(-c3ccccc3Cl)oc12
InChIInChI=1S/C15H11ClN2O3/c1-2-9-7-10(18(19)20)8-13-14(9)21-15(17-13)11-5-3-4-6-12(11)16/h3-8H,2H2,1H3
InChIKeySDJVJMZBGJVLRC-UHFFFAOYSA-N
XLogP4.62
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-ethyl-5-nitro-2-phenyl-1,3-benzoxazole
CID 95911692
2-(2,3-dichlorophenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 91673835
2-(5-chloronaphthalen-1-yl)-7-methyl-5-nitro-1,3-benzoxazole
CID 95910763
7-ethyl-2-(1-methylpyridin-1-ium-3-yl)-5-nitro-1,3-benzoxazole
CID 91673461
2-(2,5-dichlorophenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 95910864
2-(5-bromo-1-methylpyridin-1-ium-3-yl)-7-ethyl-5-nitro-1,3-benzoxazole
CID 91673471
2-(2-fluorophenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 95910835
2-(2,5-dichlorophenyl)-7-ethyl-1,3-benzoxazol-5-amine
CID 91673447
[5-chloro-2-(2-chlorophenyl)-1,3-benzoxazol-7-yl]methylhydrazine
CID 144559608
2-(3-bromo-2-methylphenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 91674975
2-(4-chloro-3-methylphenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 91674261
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole?
The IUPAC name of 2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole (CID 91673426) is 2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole.
What is the SMILES notation for 2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole?
The canonical SMILES for 2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole is CCc1cc([N+](=O)[O-])cc2nc(-c3ccccc3Cl)oc12.
What is the InChIKey of 2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole?
The InChIKey is SDJVJMZBGJVLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-2-9-7-10(18(19)20)8-13-14(9)21-15(17-13)11-5-3-4-6-12(11)16/h3-8H,2H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole?
2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole has a molecular weight of 302.72 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-7-ethyl-5-nitro-1,3-benzoxazole is sourced from PubChem (CID 91673426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).